SCHEMBL14625532

SCHEMBL14625532

NC1=NC(c2cccc(C#Cc3ccccc3)c2)(c2cc(C=O)n(CCCF)c2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.41
BACE2 Q9Y5Z0 9/20 0.41
REN P00797 6/20 0.36
CTSD P07339 6/20 0.36
KCNH2 Q12809 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14625533 0.85 BACE1 (0.39) BACE1BACE2
SCHEMBL3575846 0.85 BACE1 (0.53) BACE1BACE2RENCTSD
SCHEMBL8379823 0.73 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL14625450 0.70 BACE1 (0.39) BACE1BACE2
SCHEMBL3576060 0.70 BACE1 (0.47) BACE1BACE2RENCTSD
SCHEMBL3578398 0.65 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL3582643 0.65 BACE1 (0.49) BACE1BACE2RENCTSD
SCHEMBL4239036 0.64 BACE1 (1.00) BACE1BACE2RENCTSDKCNH2
SCHEMBL13017248 0.63 BACE1 (0.69) BACE1BACE2RENCTSD
SCHEMBL14625793 0.63 BACE1 (0.36) BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed